CAS No.: 3025-30-7 — ethyl (2E,4Z)-deca-2,4-dienoate (2,4-癸二烯酸乙酯)

1. Primary Information

English name:	ethyl (2E,4Z)-deca-2,4-dienoate
CAS No.:	3025-30-7
Molecular formula:	C₁₂H₂₀O₂
Molecular weight:	196.29 g/mol
SMILES:	CCCCCC=CC=CC(=O)OCC
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	95%	128	RT	in stock	-
Kehua Intelligence	5g	95%	307	RT	in stock	-
Kehua Intelligence	25g	95%	896	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 33 0 0 0 0 0 0 0999 V2000 -3.7739 -0.1948 0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -1.2456 -0.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 -0.5740 -0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 0.4675 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -1.5670 0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 1.4713 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 -2.5887 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 2.5054 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2295 2.3328 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 1.1270 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7956 0.9647 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5882 -1.3349 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -0.2962 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0007 -1.0675 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 -0.0585 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 -1.1252 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 1.0107 1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -0.0538 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7373 -2.0968 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 -1.0175 1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 2.0056 -1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 0.9499 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -2.0953 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -3.1832 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8599 -3.2708 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 3.4331 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 3.1307 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0478 0.3163 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 1.7389 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 -2.2141 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5882 -1.5146 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 -0.1800 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0144 -0.8680 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6517 -1.9208 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

ethyl (2E,4Z)-deca-2,4-dienoate

4.2 InChI

InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+

4.3 InChIKey

OPCRGEVPIBLWAY-QNRZBPGKSA-N

4.4 Canonical SMILES

CCCCCC=CC=CC(=O)OCC

4.5 Isomeric SMILES

CCCCC/C=C\C=C\C(=O)OCC

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)